SCHEMBL731626

SCHEMBL731626

COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)nc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 3/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
S1PR4 O95977 2/20 0.43
LMNA P02545 2/20 0.43
S1PR1 P21453 2/20 0.43
STAT3 P40763 2/20 0.43
STAT1 P42224 2/20 0.43
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
GLA P06280 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GAA P10253 1/20 0.41
HSD17B10 Q99714 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28493223 0.82 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL28490522 0.80 TSHR (0.57) ALDH1A1KDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL731053 0.77 CA12 (0.45) SDHBGABRG2GABRB3GABRA5GABRA3
SCHEMBL733458 0.75 HPGD (0.58) ALDH1A1KDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL28496947 0.74 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL763288 0.74 LTB4R (0.56) ALDH1A1KDM4EPLA2G2ALTB4RADORA1
SCHEMBL732748 0.73 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL2710110 0.73 ALDH1A1 (0.42) SDHBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9300719 0.73 ALOX5 (0.49) SDHBALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL36203 0.72 PTGS2 (0.55) SDHBALDH1A1KDM4EHPGDGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 SDHB 559/4885ALDH1A1 113/4885KDM4E 3445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.